ACCESSION: MSBNK-EPA-ENTACT_AGILENT001787
RECORD_TITLE: PharmaGSID_48516; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PharmaGSID_48516
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁ClFNO₃S
CH$EXACT_MASS: 339.0132198652
CH$SMILES: O=C(NS(=O)(=O)/C=C/C1C=CC=CC=1)C1=CC=C(F)C=C1Cl
CH$IUPAC: InChI=1S/C15H11ClFNO3S/c16-14-10-12(17)6-7-13(14)15(19)18-22(20,21)9-8-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b9-8+
CH$LINK: INCHIKEY AUMLVMKWJGCERZ-CMDGGOBGSA-N
CH$LINK: PUBCHEM CID:23700188

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 338.0059434135
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-0009000000-1839386fc5d53d1c618e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.998537 1.087342 10
  119.050726 5.414486 54
  171.997093 1.930918 19
  338.005943 100.000001 999
//